{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.48745 5.119771 4.891898 4.726336 4.596224 4.489027 4.397869 4.318569 4.248394 4.18546 4.128411 4.076239 4.028176 3.983623 3.9421 3.903222 3.866672 3.832187 3.799546 3.768562 3.739074 3.710945 3.684055 3.6583 3.640766 3.622313 3.602838 3.582221 3.560321 3.536966 3.511951 3.48502 3.455856 3.424054 3.389089 3.350263 3.306614 3.256774 3.19869 3.129084 3.042225 2.92664 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.487450000000001e-10 5.119771e-10 4.891898000000001e-10 4.726336e-10 4.5962240000000005e-10 4.489027e-10 4.3978690000000003e-10 4.3185690000000004e-10 4.248394e-10 4.1854600000000004e-10 4.128411e-10 4.0762390000000004e-10 4.028176e-10 3.983623e-10 3.9421000000000003e-10 3.9032220000000003e-10 3.866672e-10 3.832187e-10 3.799546e-10 3.768562e-10 3.739074e-10 3.7109450000000005e-10 3.684055e-10 3.6583e-10 3.6407660000000005e-10 3.622313e-10 3.6028380000000004e-10 3.5822210000000003e-10 3.560321e-10 3.5369660000000003e-10 3.511951e-10 3.48502e-10 3.455856e-10 3.424054e-10 3.389089e-10 3.350263e-10 3.306614e-10 3.256774e-10 3.19869e-10 3.129084e-10 3.0422250000000003e-10 2.92664e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.873439 1.38538 1.71705 2.02261 2.33288 2.62842 2.88831 3.10796 3.28837 3.4327 3.54873 3.64314 3.72069 3.78484 3.8382 3.88247 3.91874 3.94792 3.97078 3.98808 4.00055 4.00883 4.01344 4.0149 4.01418 4.01175 4.00719 3.99995 3.98932 3.9744 3.9541 3.92752 3.89374 3.85167 3.79994 3.73603 3.65493 3.54715 3.38959 3.12418 2.61075 1.34929 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3994035454949312e-19 2.219623446923904e-19 2.75101736674464e-19 3.2405784549962877e-19 3.737685795131904e-19 4.2111930736431365e-19 4.627582755622848e-19 4.979500850381568e-19 5.268549534540096e-19 5.49979168622016e-19 5.685692239531585e-19 5.836953734301312e-19 5.961202531244352e-19 6.063982161468672e-19 6.149474305954561e-19 6.220402664957376e-19 6.278513610993792e-19 6.325265124788736e-19 6.361890882340224e-19 6.389608537880064e-19 6.40958768034144e-19 6.422853702761664e-19 6.430239736983552e-19 6.43257891484992e-19 6.431425347682944e-19 6.427532058494401e-19 6.420226133103552e-19 6.40862637436896e-19 6.391595236889857e-19 6.367690761707521e-19 6.33516657630528e-19 6.292580721724416e-19 6.238459195473792e-19 6.171055625036737e-19 6.088175028442752e-19 5.985779920607424e-19 5.855843396660544e-19 5.68316080047072e-19 5.430721852097472e-19 5.0054881551709445e-19 4.1828826127536e-19 2.1618008926792323e-19 ] } }